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Boc-PEG3-I

CAT: 0013-GTR19275416-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275416-02Size:50 mg
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Description
Boc-PEG3-I is a PROTAC linker utilized in the synthesis of PROTAC molecules.
CAS Number
1291090-50-0
Smiles
O=C (OC (C) (C) C) CCOCCOCCOCCI
Molecular Formula
C13H25IO5
Molecular Weight
388.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tert-butyl 3-(2-(2-(2-iodoethoxy)ethoxy)ethoxy)propanoate
CAS Number1291090-50-0
PubChem CID156828369
IUPAC Nametert-butyl 3-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]propanoate
Molecular FormulaC13H25IO5
Molecular Weight388.24
XLogP1.7
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count19
Formal Charge0
Complexity228
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCI
InChI
InChI=1S/C13H25IO5/c1-13(2,3)19-12(15)4-6-16-8-10-18-11-9-17-7-5-14/h4-11H2,1-3H3
InChIKey
YFCBAGHBVVUMJI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 3-(2-(2-(2-iodoethoxy)ethoxy)ethoxy)propanoate
CAS: 1291090-50-0
CID: 156828369
Formula: C13H25IO5
MW: 388.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.24
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass388.07467
Monoisotopic Mass388.07467
Topological Polar Surface Area54 Ų
Heavy Atom Count19
Formal Charge0
Complexity228
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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